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PUBCHEM-ZINC01753085

 MMsINC code: MMs02820022
Type: Neutral
Formula: C17H13Cl3N2O
SMILES:   Clc1cc(Cl)ccc1COc1ccc(Cl)cc1Cn1ccnc1
InChI:   InChI=1/C17H13Cl3N2O/c18-14-3-4-17(13(7-14)9-22-6-5-21-11-22)23-10-12-1-2-15(19)8-16(12)20/h1-8,11H,9-10H2

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Potential Energy
Epot(MMFF94)=60.2275 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 367.663 g/mol  logS: -5.67216  SlogP: 6.0034  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0738487  Sterimol/B1: 2.75976  Sterimol/B2: 4.05108  Sterimol/B3: 4.12758
  Sterimol/B4: 6.90428  Sterimol/L: 15.6057 
 
 Surface and Volume Properties
  Accessible surface: 563.319  Positive charged surface: 241.775  Negative charged surface: 321.545  Volume: 316.875
  Hydrophobic surface: 515.994  Hydrophilic surface: 47.325
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 2  Acid groups: 0  Basic groups: 0
  Chiral centers: 0
 
 Drug- and Lead-like Properties
  Lipinski's drug-like rule: 1  Violations of Lipinski's rule: 1  Oprea's lead like rule: 1
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Ions/Tautomers related molecules: no related molecules available.